S614-0779 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

S614-0779 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
S614-0779 Screening compound: 2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S614-0779
2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S614-0779

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

2-{3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

IUPAC name

2-{3-[2-(cyclopropylmethoxy)ethyl]-124-oxadiazol-5-yl}-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

SMILES

Cc1ccc(CNC(N(CCCC2)C2c2nc(CCOCC3CC3)no2)=O)cc1

InChI

InChI=1S/C22H30N4O3/c1-16-5-7-17(8-6-16)14-23-22(27)26-12-3-2-4-19(26)21-24-20(25-29-21)11-13-28-15-18-9-10-18/h5-8,18-19H,2-4,9-15H2,1H3,(H,23,27)/t19-/m0/s1

InChI Key

KISFGZLGBBRSBH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31976766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-3.76

Polar Surface Area

67.996

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S614-0779 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S614-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S614-0779?
Check Price and Availability of S614-0779, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S614-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S614-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S614-0779
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S614-0779 available by request